Geometry & MOs

Info

ID:	266979
PubChem CID:	103580294
Reduced:	BrClON2C10H14 (1)
Stoich.:	ABCD2E10F14 (1)
Weight, g/mol:	291.9978
ΔH_f, kcal/mol:	-32.53
Dipole, Da:	3.76
IP(EA), eV:	-8.67(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-bromo-3-chloropyridin-2-yl)-methylamino]butan-2-ol

Drug info:

PubChemData

Smile

CCOC(C)CNC1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations